3-[benzyl(methyl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione

C20H22N2O3 — CID 2839652

IUPAC3-[benzyl(methyl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
SMILESCCOc1ccc(N2C(=O)CC(N(C)Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C20H22N2O3/c1-3-25-17-11-9-16(10-12-17)22-19(23)13-18(20(22)24)21(2)14-15-7-5-4-6-8-15/h4-12,18H,3,13-14H2,1-2H3
InChIKeyFGWFOXWRPRARCN-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.85
Rot. Bonds6

About 3-[benzyl(methyl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione

3-[benzyl(methyl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 2839652) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
PubChem CID2839652
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name3-[benzyl(methyl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
SMILESCCOc1ccc(N2C(=O)CC(N(C)Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C20H22N2O3/c1-3-25-17-11-9-16(10-12-17)22-19(23)13-18(20(22)24)21(2)14-15-7-5-4-6-8-15/h4-12,18H,3,13-14H2,1-2H3
InChIKeyFGWFOXWRPRARCN-UHFFFAOYSA-N
XLogP2.85
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

Sembragiline
CID 10246762
N-[4-(benzyloxy)phenyl]glycinamide
CID 22690393
4-amino-N-[4-(benzyloxy)phenyl]butanamide
CID 22692237
Para-methoxybutyryl fentanyl
CID 118796493
1-(2-Ethoxy-phenyl)-3-(hydroxy-phenyl-amino)-pyrrolidine-2,5-dione
CID 2856113
3-{[2-(3,4-Dimethoxyphenyl)ethyl](methyl)amino}-1-phenylpyrrolidine-2,5-dione
CID 3679102
1-[4-(4-Methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 937377
2,5-Pyrrolidinedione, 1-(4-methoxyphenyl)-3-(1-piperidinyl)-
CID 2732613
3-(N-hydroxyanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione
CID 2859218
(2S)-2-amino-N-[4-(benzyloxy)phenyl]propanamide
CID 22690542
(2S)-2-amino-N'-(4-phenylmethoxyphenyl)pentanediamide
CID 24901607
(2S)-2-amino-N-[4-(4-methylphenoxy)phenyl]pentanediamide
CID 24901627

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[benzyl(methyl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione (CID 2839652) is 3-[benzyl(methyl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[benzyl(methyl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[benzyl(methyl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione is CCOc1ccc(N2C(=O)CC(N(C)Cc3ccccc3)C2=O)cc1.
What is the InChIKey of 3-[benzyl(methyl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is FGWFOXWRPRARCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-3-25-17-11-9-16(10-12-17)22-19(23)13-18(20(22)24)21(2)14-15-7-5-4-6-8-15/h4-12,18H,3,13-14H2,1-2H3.
What are the key properties of 3-[benzyl(methyl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione?
3-[benzyl(methyl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 338.41 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2839652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).